2-(cyclopropylmethoxymethyl)-3-methyl-N-propylbutan-1-amine

C13H27NO — CID 106930604

IUPAC2-(cyclopropylmethoxymethyl)-3-methyl-N-propylbutan-1-amine
SMILESCCCNCC(COCC1CC1)C(C)C
InChIInChI=1S/C13H27NO/c1-4-7-14-8-13(11(2)3)10-15-9-12-5-6-12/h11-14H,4-10H2,1-3H3
InChIKeyMSSAPPKBCJNMHU-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.68
Rot. Bonds9

About 2-(cyclopropylmethoxymethyl)-3-methyl-N-propylbutan-1-amine

2-(cyclopropylmethoxymethyl)-3-methyl-N-propylbutan-1-amine (PubChem CID 106930604) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 2-(cyclopropylmethoxymethyl)-3-methyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name2-(cyclopropylmethoxymethyl)-3-methyl-N-propylbutan-1-amine
PubChem CID106930604
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name2-(cyclopropylmethoxymethyl)-3-methyl-N-propylbutan-1-amine
SMILESCCCNCC(COCC1CC1)C(C)C
InChIInChI=1S/C13H27NO/c1-4-7-14-8-13(11(2)3)10-15-9-12-5-6-12/h11-14H,4-10H2,1-3H3
InChIKeyMSSAPPKBCJNMHU-UHFFFAOYSA-N
XLogP2.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(cyclohexylmethoxy)-3-(propylamino)propan-2-ol
CID 62382060
2-(cyclopentylmethyl)-3-methyl-N-propylbutan-1-amine
CID 63522393
1-(oxan-4-ylmethoxy)-3-(propylamino)propan-2-ol
CID 62382435
3-(cyclopropylmethoxy)-2-(1,1-dioxothiolan-3-yl)-N-propylpropan-1-amine
CID 106930577
3-(cyclopropylmethoxy)-2-(2-fluorophenyl)-N-propylpropan-1-amine
CID 106930922
2-(cyclopropylmethoxymethyl)-3-(4-fluorophenyl)-N-propylpropan-1-amine
CID 106930624
2-[4-(cyclopropylmethoxymethyl)phenyl]-N-propylpropan-1-amine
CID 105349891
N-[2-(cyclopropylmethoxy)ethyl]-2-methylbutan-1-amine
CID 103897079
N-[1-cyclopropyl-2-(cyclopropylmethoxy)ethyl]propan-1-amine
CID 63908760
3-(cyclopropylmethoxy)-2-(propylamino)propan-1-ol
CID 64802807
2-N-(cyclopropylmethyl)-2-N-ethyl-3-methyl-1-N-propylbutane-1,2-diamine
CID 63938154
2-(cyclopropylmethoxymethyl)-N-ethyl-4-methylpentan-1-amine
CID 106930589

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxymethyl)-3-methyl-N-propylbutan-1-amine?
The IUPAC name of 2-(cyclopropylmethoxymethyl)-3-methyl-N-propylbutan-1-amine (CID 106930604) is 2-(cyclopropylmethoxymethyl)-3-methyl-N-propylbutan-1-amine.
What is the SMILES notation for 2-(cyclopropylmethoxymethyl)-3-methyl-N-propylbutan-1-amine?
The canonical SMILES for 2-(cyclopropylmethoxymethyl)-3-methyl-N-propylbutan-1-amine is CCCNCC(COCC1CC1)C(C)C.
What is the InChIKey of 2-(cyclopropylmethoxymethyl)-3-methyl-N-propylbutan-1-amine?
The InChIKey is MSSAPPKBCJNMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-4-7-14-8-13(11(2)3)10-15-9-12-5-6-12/h11-14H,4-10H2,1-3H3.
What are the key properties of 2-(cyclopropylmethoxymethyl)-3-methyl-N-propylbutan-1-amine?
2-(cyclopropylmethoxymethyl)-3-methyl-N-propylbutan-1-amine has a molecular weight of 213.36 g/mol, XLogP of 2.68, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxymethyl)-3-methyl-N-propylbutan-1-amine is sourced from PubChem (CID 106930604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).